Strategy To Discover Diverse Optimal Molecules in the Small Molecule Universe

[Image: see text] The small molecule universe (SMU) is defined as a set of over 10(60) synthetically feasible organic molecules with molecular weight less than ∼500 Da. Exhaustive enumerations and evaluation of all SMU molecules for the purpose of discovering favorable structures is impossible. We t...

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Bibliografiske detaljer
Udgivet i:J Chem Inf Model
Main Authors: Rupakheti, Chetan, Virshup, Aaron, Yang, Weitao, Beratan, David N.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2015
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4372820/
https://ncbi.nlm.nih.gov/pubmed/25594586
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500749q
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